“…It is known that in the crystal field theory, the complete diagonalization (of energy matrix) method (CDM) is capable of calculating the optical and EPR data simultaneously for d n ions in crystals [9,[14][15][16][17][18]. In the traditional crystal field theory, the CDM is based on the one-spin-orbitparameter model where only the contributions to the spectroscopic data from the spin-orbit parameter of central d n ions are taken into account [9,[14][15][16][17]. However, for CdSe: Co 2 þ , since the spin-orbit parameter p 0 ζ ( E1659 cm À 1 [19]) of free ligand ion Se 2 À is larger than that ( p 0 ζ E 533 cm À 1 [20]) of free central ion Co 2 þ , the contributions from the spin-orbit parameter of ligand ion via covalence effect should be contained.…”